SCHEMBL4546216

SCHEMBL4546216

Cn1ccc(=O)c(O)c1CCO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
CYP2C19 P33261 2/20 0.58
KDM6A O15550 1/20 0.58
KDM4A O75164 1/20 0.58
CYP2C9 P11712 1/20 0.58
KDM5C P41229 1/20 0.58
KDM2B Q8NHM5 1/20 0.58
DOHH Q9BU89 1/20 0.58
KDM2A Q9Y2K7 1/20 0.58
CYP2D6 P10635 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
COMT P21964 2/20 0.39
MMP1 P03956 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
APP P05067 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6995058 0.85 KDM4E (0.62) KDM4ECYP2C19KDM6AKDM4ACYP2C9
Hydrochloric Acid SCHEMBL6997040 0.83 KDM4E (0.60) KDM4ECYP2C19KDM6AKDM4ACYP2C9
SCHEMBL867532 0.82 KDM4E (0.55) KDM4ECYP2C19KDM6AKDM4ACYP2C9
SCHEMBL869287 0.81 KDM4E (0.62) KDM4ECYP2C19KDM6AKDM4ACYP2C9
SCHEMBL9700172 0.81 KDM4E (0.53) KDM4ECYP2C19KDM6AKDM4ACYP2C9
Hydrochloric Acid SCHEMBL10404502 0.79 KDM4E (0.60) KDM4ECYP2C19KDM6AKDM4ACYP2C9
SCHEMBL18117860 0.79 KDM4E (0.60) KDM4ECYP2C19KDM6AKDM4ACYP2C9
SCHEMBL8615538 0.79 KDM4E (0.60) KDM4ECYP2C19KDM6AKDM4ACYP2C9
SCHEMBL8129400 0.79 KDM4E (0.44) KDM4ECYP2C19KDM6AKDM4ACYP2C9
SCHEMBL9700190 0.76 KDM4E (0.56) KDM4ECYP2C19KDM6AKDM4ACYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8459787-B2 Aqueous inkjet printing fluid compositions EASTMAN KODAK COMPANY (US) 2013-06-11 US disclosed
US-20120105553-A1 AQUEOUS INKJET PRINTING FLUID COMPOSITIONS KODAK (NEAR EAST) INC. 2012-05-03 US disclosed